6-Chloro-2-fluoro-3-methylbenzoyl chloride

C₈H₅Cl₂FOCAS 261762-82-7207.03 g/mol

Open in Covalent MOL file

Acyl halide Aryl halide

Properties

Molecular formula: C₈H₅Cl₂FO
Molar mass: 207.03 g/mol
Exact mass: 205.9701 Da
logP: 3.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

261762-82-7

SMILES

Cc1ccc(Cl)c(C(=O)Cl)c1F

InChIKey

NWTPJKCARLIKFP-UHFFFAOYSA-N

InChI

InChI=1S/C8H5Cl2FO/c1-4-2-3-5(9)6(7(4)11)8(10)12/h2-3H,1H3

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Names and synonyms

1 names

Benzoyl chloride, 6-chloro-2-fluoro-3-methyl-

Work with 6-Chloro-2-fluoro-3-methylbenzoyl chloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,6-Difluoro-3-methylbenzoyl chloride261763-39-769 % similar 3-Chloro-2,6-difluorobenzoyl chloride261762-43-057 % similar 2,6-Dichlorobenzoyl chloride4659-45-452 % similar 2-Chloro-6-fluorobenzoyl chloride79455-63-351 % similar Pentafluorobenzoyl chloride2251-50-550 % similar 2,3,5,6-Tetrafluorobenzoyl chloride107535-73-947 % similar 1-Chloro-2-fluoro-3-methylbenzene85089-31-246 % similar 2,6-Difluorobenzoyl chloride18063-02-044 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Chloro-6-fluoro-3-methylbenzoyl chloride261762-81-6 1-(2,6-Dichloro-3-fluorophenyl)ethanone290835-85-7 2′,4′-Dichloro-5′-fluoroacetophenone704-10-9

Elsewhere

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